NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.1521 8.2644 123.5906 51.9392 20.9913 177.4847 *9 S 4.2062 7.6999 109.6020 57.8019 63.8947 173.4330 10 L 3.8606 8.5951 130.4496 58.6272 41.6744 178.5357 11 D 4.4143 8.2097 117.9461 57.6946 40.7496 178.4498 12 D 4.4008 8.0598 121.4684 58.1508 40.6233 179.8242 13 I 3.7013 7.3871 119.0289 64.9873 35.6144 179.7729 14 I 3.7704 7.3784 120.7309 64.2542 37.2313 177.9843 15 N 4.4751 8.2623 117.5174 56.1424 38.1797 177.3447 16 N 4.5429 8.1074 116.3893 54.1209 38.9135 176.6170 *18 I 3.9508 7.7325 121.0519 60.8995 39.1208 177.6884 19 D 4.3847 8.3055 119.1843 57.2257 40.7407 178.9966 20 K 4.0868 7.8153 118.7189 59.2601 32.2481 179.0442 21 L 4.0296 7.9413 118.7693 58.1829 41.3341 179.4770 22 K 3.9167 8.3425 117.1455 59.3767 32.0932 178.3901 23 L 4.3397 7.6778 116.3661 55.1534 42.0297 177.1578 24 L 4.3648 7.7318 118.0193 55.1807 43.5613 177.2802 25 V 4.5423 7.4803 116.4194 61.1677 34.4216 174.0582 26 H 4.3115 8.8497 124.9907 55.7941 29.1442 174.3918 27 F 4.9785 7.8278 117.3789 56.6089 39.8489 173.1665 28 D 4.9910 9.9173 119.1516 55.1309 43.3772 176.9026 29 R 5.2260 8.2338 116.8243 55.0043 34.1313 173.9231 30 I 5.3435 9.3891 125.6034 59.6129 41.3234 174.4977 31 S 5.3480 9.3156 120.5914 56.4799 66.7121 172.5102 32 F 5.2404 9.5866 123.6996 56.4478 42.2979 173.6982 33 L 4.8393 7.9025 125.1994 52.5573 45.5083 174.9427 34 L 4.5201 8.5940 124.5948 53.0078 44.6983 174.7930 35 L 4.8850 8.5840 129.2397 53.8473 42.4027 175.7708 36 A 4.5195 8.5743 131.7969 52.2145 22.1841 176.0627 37 N 3.9266 9.5079 122.2266 54.4900 34.7131 171.5886 38 E 4.1909 8.5241 108.9900 57.6239 27.7922 176.4178 39 T 5.0265 7.7896 114.1451 62.6373 72.9931 172.8690 40 L 4.8230 9.0425 128.0919 53.4695 44.0265 174.9493 41 K 5.1677 8.5277 125.5765 54.0730 36.0778 175.4775 42 L 4.3391 8.7289 126.9846 55.4989 42.4328 177.1868 43 S 4.6635 9.0623 120.3206 59.3961 65.5471 174.3277 44 H 5.1742 8.2235 115.9591 53.7268 33.0003 173.0098 45 V 5.1491 8.5316 120.6847 60.2002 34.6327 174.0121 46 Y 4.8440 9.2371 123.9725 55.2466 42.0393 173.3780 47 P 3.5803 0.0000 0.0000 62.0666 32.3268 177.9331 48 K 3.9038 8.6984 122.3083 58.0709 31.1323 179.1444 49 G 3.5475 7.5319 107.5528 48.2536 0.0000 173.7388 50 S 4.2079 7.7618 124.6526 58.1709 62.4235 173.4972 51 H 4.7116 8.2283 121.4946 55.6137 30.7197 174.7890 52 S 4.5653 8.8689 119.1850 58.6578 63.1330 171.5181 53 L 4.5720 7.5653 117.6539 53.7314 43.1586 175.9500 54 D 4.6005 8.1009 122.3512 53.4477 41.6406 176.3757 55 I 3.7412 8.0789 123.6793 63.3164 37.4324 176.5619 56 G 3.9995 9.1800 114.2692 44.9579 0.0000 174.0244 57 S 4.2710 8.1063 116.7954 59.3085 63.9040 173.7689 58 T 4.8732 8.4451 120.1775 62.9294 69.7999 174.2578 59 I 4.3598 8.5436 127.4012 59.0857 38.0179 174.3646 60 P 4.4031 0.0000 0.0000 62.1314 32.1858 176.7645 61 K 3.5732 8.0909 118.8437 58.8806 32.2427 177.2934 62 E 4.0090 7.8666 119.8969 57.3076 29.8425 175.9572 63 Q 3.6617 8.8329 123.8865 57.1950 26.4948 172.3160 64 S 5.1209 7.7745 113.0809 57.0454 63.7207 174.2204 65 L 3.8712 8.8191 130.9115 58.2551 42.0473 178.2246 66 Y 4.3335 8.2510 116.7243 61.2506 37.8271 178.9141 67 W 4.1537 8.3457 119.6833 59.6576 29.0091 178.4245 68 S 4.1535 8.4128 113.0641 61.5512 61.7650 176.2282 69 A 4.1283 8.3291 123.4582 54.9670 18.1586 179.7259 70 L 3.8471 7.7875 117.3759 58.1676 41.5368 179.4426 71 D 4.4369 8.3821 117.8524 57.2624 40.8576 178.2565 72 Q 4.1547 7.8626 116.0856 55.5510 29.2945 175.8861 73 R 3.4814 7.6772 120.1613 57.6155 28.3644 176.6097 74 Q 4.6904 7.6903 115.0859 53.7026 32.0821 177.8766 75 T 4.1737 8.7878 120.4133 63.4818 69.2909 173.5251 76 I 4.5714 8.8370 127.1544 59.3938 40.2641 174.2043 77 F 5.3731 8.8822 128.7475 56.6424 41.3804 174.6592 78 R 4.4086 8.0612 125.1125 54.4255 33.6286 174.2310 79 S 4.5520 8.5509 120.2088 58.4135 63.2435 173.4524 80 L 4.7481 9.2134 124.9570 54.6099 42.0690 177.0899 81 T 4.3577 7.6813 107.5091 61.0539 69.5774 173.6248 82 D 4.5835 7.8908 123.2954 53.5168 40.4830 176.7572 83 T 3.9211 8.5606 120.2516 64.5074 69.0450 175.7503 84 Q 4.4010 8.0126 119.5281 54.5378 28.0564 180.5575 85 D 4.6948 8.0898 117.8699 53.4881 42.2093 173.9186 86 N 4.7386 8.4788 124.2048 51.5290 41.4767 173.4844 87 F 5.0646 7.1764 117.1426 55.3449 41.2397 174.5087 88 Y 4.1241 9.3593 122.8741 61.0214 38.7513 177.8714 89 E 4.0716 8.4785 118.2105 58.7570 30.2154 178.8470 90 K 3.5610 7.5854 120.0402 59.5872 31.9178 178.6762 91 Q 3.9426 7.5174 116.9285 59.2638 28.0568 177.7408 92 Y 4.2800 7.2058 117.2502 59.9949 38.2887 177.3133 93 L 4.3199 7.7585 119.5207 57.3533 42.0954 178.7798 94 A 4.0203 8.5051 121.0746 55.0218 18.0974 179.2643 95 I 3.7186 7.4662 115.4564 63.0305 38.0169 176.3448 96 L 4.4415 7.4983 118.1386 54.6672 41.7872 176.3926 97 D 4.5725 8.3687 117.8114 54.9961 38.7154 173.4587 98 L 4.5232 7.8655 118.8982 54.7165 42.4006 176.8321 99 K 4.6084 9.0094 121.0579 56.5417 34.3644 175.8046 100 S 5.0873 7.9824 113.8775 56.6806 66.6287 172.2560 101 I 5.1452 8.7115 124.4665 59.3713 41.7673 173.2332 102 L 5.1579 9.4370 131.3641 53.2551 44.6936 174.9236 103 V 4.5187 9.0049 126.9945 61.3923 33.8030 174.4557 104 I 4.6445 8.6611 131.0844 58.6067 38.7638 173.7294 105 P 4.7045 0.0000 0.0000 62.7482 32.5235 175.9841 106 I 4.5983 9.2030 123.4812 59.9134 39.5273 174.1369 107 Y 5.3392 8.0945 124.2153 55.7153 40.9610 174.0373 108 S 4.7113 8.7608 117.5762 56.4268 66.0271 175.0132 109 K 4.1178 8.8871 121.6871 58.1759 31.1804 176.3022 110 N 4.5351 8.2125 115.5213 55.2528 38.7966 175.1104 111 K 4.6478 7.6871 113.5924 55.4645 35.8656 175.0981 112 R 4.5766 8.3692 118.8993 55.9633 31.0391 176.6263 113 V 4.2300 9.0818 121.4084 62.9894 34.0653 175.3703 114 G 3.5031 6.9074 105.0885 45.8198 0.0000 170.8073 115 V 4.6433 7.2256 119.0768 61.0039 35.5753 175.2209 116 L 5.0898 8.7979 129.3571 53.2669 44.6000 174.7304 117 S 5.0268 8.9890 120.9302 56.5004 65.4199 172.4816 118 I 5.0442 9.0642 128.0481 59.5028 40.4665 174.7007 119 G 4.7377 9.6335 114.4240 44.4946 0.0000 171.9238 120 R 5.3176 8.6518 121.1662 54.1191 33.1861 177.3300 121 K 4.2351 9.5236 122.4852 58.2026 32.4695 177.6324 122 Q 4.5765 7.8294 116.5158 54.7434 30.4104 175.3610 123 Q 4.5642 8.3074 119.4603 55.8123 28.9985 176.4024 124 I 4.1353 7.4401 118.4616 60.1967 38.3981 176.5011 125 D 4.3332 8.3829 124.9418 53.5816 41.3781 176.0213 126 W 3.9539 8.0822 121.7280 56.4798 29.6199 177.5320 127 S 4.4745 8.5744 118.7571 57.5489 64.9784 174.9494 128 L 3.9469 8.2717 123.3718 58.2894 41.7634 178.6012 129 D 3.9721 7.9340 118.4493 57.3259 40.7503 178.4473 130 D 4.5300 7.8815 119.0518 57.4991 40.9214 178.8782 131 L 4.2305 8.2813 119.2270 57.4211 41.4640 179.4782 132 A 3.9150 8.1639 121.3746 55.1422 18.3092 179.4053 133 F 4.4596 8.0709 116.4667 60.9930 39.0327 177.7875 134 L 4.0031 8.6355 120.1019 58.1989 41.7177 178.6589 135 E 3.9463 8.4621 119.3808 59.2608 29.3357 178.7609 136 Q 4.0313 8.0649 117.4791 59.0172 28.8491 178.5072 137 L 4.2014 8.1973 119.5427 56.8081 42.1774 178.4261 138 T 4.4162 7.6656 107.4882 61.6305 69.5597 176.0033 139 D 4.3004 7.7267 122.5389 56.7451 39.6063 177.8398 140 H 4.3523 8.1609 116.0517 58.0349 28.6626 177.2621 141 L 3.5836 7.2883 121.4006 57.6230 41.4476 179.1349 142 A 3.9316 7.8240 119.9486 55.2603 18.2088 179.7798 143 V 3.5164 7.5815 116.0439 66.1723 31.5349 178.0413 144 S 4.0764 7.6498 113.6819 61.8266 63.0654 176.7170 145 I 3.8724 7.9526 122.3367 64.3769 36.8271 177.9647 146 E 3.9891 8.1569 119.4484 59.9391 29.2936 179.4580 147 N 4.3649 8.4321 116.2805 56.0899 38.5653 177.6191 148 V 3.7136 7.7275 121.6554 66.8876 31.5062 178.7472 149 E 4.1125 8.1402 115.6760 60.6388 29.6556 179.9981 150 L 4.3842 7.4739 118.6901 58.3571 42.2211 177.9620 151 Y 4.5192 8.3491 119.7273 60.1420 39.6245 177.4501 152 G 3.8486 8.2261 111.8508 45.5318 0.0000 174.0360 153 Q 4.0636 7.4188 121.1204 55.0552 29.1820 176.7389 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 A 8.26 4.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 S 7.70 4.21 0.00 3.96 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.60 3.86 0.00 1.83 1.73 0.88 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.21 4.41 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.06 4.40 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.39 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.91 0.00 0.00 14 I 7.38 3.77 1.60 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.15 0.72 0.00 0.00 15 N 8.26 4.48 0.00 2.76 2.85 0.00 0.00 6.74 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.11 4.54 0.00 2.89 2.72 0.00 0.00 7.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 I 7.73 3.95 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.39 0.48 0.00 0.00 19 D 8.31 4.38 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.82 4.09 0.00 1.71 1.79 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.64 7.81 21 L 7.94 4.03 0.00 1.78 1.85 0.72 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.34 3.92 0.00 1.83 1.86 0.00 0.98 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.62 7.81 23 L 7.68 4.34 0.00 1.72 1.64 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.73 4.36 0.00 1.58 1.47 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.48 4.54 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.32 0.00 0.00 26 H 8.85 4.31 0.00 3.06 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.83 4.98 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 9.92 4.99 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.23 5.23 0.00 1.99 1.88 0.00 3.25 0.00 0.00 3.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 30 I 9.39 5.34 1.91 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.12 0.84 0.00 0.00 31 S 9.32 5.35 0.00 3.96 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 9.59 5.24 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.90 4.84 0.00 1.17 1.29 0.56 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.59 4.52 0.00 1.51 1.41 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.58 4.88 0.00 1.52 1.56 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.57 4.52 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.51 3.93 0.00 2.92 2.77 0.00 0.00 6.75 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.52 4.19 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 39 T 7.79 5.03 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 40 L 9.04 4.82 0.00 1.39 1.46 0.63 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.53 5.17 0.00 1.69 1.62 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.35 7.81 42 L 8.73 4.34 0.00 1.74 1.53 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.06 4.66 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.22 5.17 0.00 3.22 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.53 5.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.17 0.00 0.00 46 Y 9.24 4.84 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 3.58 0.00 1.98 1.42 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.67 0.00 48 K 8.70 3.90 0.00 1.77 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.06 7.81 49 G 7.53 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.76 4.21 0.00 4.15 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.23 4.71 0.00 3.40 3.32 0.00 5.51 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.87 4.57 0.00 3.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.57 4.57 0.00 1.57 1.53 0.86 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.10 4.60 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.08 3.74 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.92 0.00 0.00 56 G 9.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.11 4.27 0.00 3.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.45 4.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 59 I 8.54 4.36 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 1.12 0.00 0.00 60 P 0.00 4.40 0.00 1.95 1.84 0.00 2.66 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.33 0.00 61 K 8.09 3.57 0.00 1.45 1.45 0.00 1.13 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.30 0.47 7.81 62 E 7.87 4.01 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 63 Q 8.83 3.66 0.00 2.45 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 64 S 7.77 5.12 0.00 4.15 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.82 3.87 0.00 1.32 1.38 0.50 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.25 4.33 0.00 3.06 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.35 4.15 0.00 3.44 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.41 4.15 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.33 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.79 3.85 0.00 1.87 1.72 0.23 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.38 4.44 0.00 2.67 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.86 4.15 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 73 R 7.68 3.48 0.00 1.65 1.44 0.00 2.76 0.00 0.00 3.01 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 74 Q 7.69 4.69 0.00 1.76 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.70 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 75 T 8.79 4.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 76 I 8.84 4.57 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.87 0.00 0.00 77 F 8.88 5.37 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.06 4.41 0.00 1.64 1.54 0.00 3.15 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 79 S 8.55 4.55 0.00 3.94 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.21 4.75 0.00 1.58 1.66 1.10 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.68 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 82 D 7.89 4.58 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.56 3.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 84 Q 8.01 4.40 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 85 D 8.09 4.69 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.48 4.74 0.00 2.58 2.61 0.00 0.00 7.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.18 5.06 0.00 3.42 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 9.36 4.12 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.48 4.07 0.00 2.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.16 0.00 90 K 7.59 3.56 0.00 0.79 1.32 0.00 1.10 0.00 0.00 1.34 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.08 1.09 7.81 91 Q 7.52 3.94 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 92 Y 7.21 4.28 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.76 4.32 0.00 1.88 1.80 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.51 4.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.47 3.72 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 1.01 0.00 0.00 96 L 7.50 4.44 0.00 1.87 1.72 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.37 4.57 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.87 4.52 0.00 1.72 1.70 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.01 4.61 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 100 S 7.98 5.09 0.00 4.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.71 5.15 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.83 0.97 0.00 0.00 102 L 9.44 5.16 0.00 1.56 1.29 0.73 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.00 4.52 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 104 I 8.66 4.64 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.49 0.84 0.00 0.00 105 P 0.00 4.70 0.00 2.17 2.12 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 106 I 9.20 4.60 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.92 0.00 0.00 107 Y 8.09 5.34 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.76 4.71 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.89 4.12 0.00 1.79 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.08 7.81 110 N 8.21 4.54 0.00 2.73 2.94 0.00 0.00 6.67 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.69 4.65 0.00 1.96 1.88 0.00 1.33 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 112 R 8.37 4.58 0.00 1.83 1.88 0.00 3.26 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 113 V 9.08 4.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 114 G 6.91 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.23 4.64 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.63 0.00 0.00 116 L 8.80 5.09 0.00 1.80 1.41 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.99 5.03 0.00 3.30 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 9.06 5.04 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.36 1.23 0.00 0.00 119 G 9.63 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.65 5.32 0.00 1.88 1.94 0.00 2.97 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 121 K 9.52 4.24 0.00 1.76 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.75 1.43 7.81 122 Q 7.83 4.58 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.63 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 123 Q 8.31 4.56 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 124 I 7.44 4.14 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 0.79 0.00 0.00 125 D 8.38 4.33 0.00 2.59 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 W 8.08 3.95 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.57 4.47 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.27 3.95 0.00 1.75 1.65 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.93 3.97 0.00 2.60 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.88 4.53 0.00 3.10 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.28 4.23 0.00 1.99 1.71 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.16 3.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.07 4.46 0.00 3.29 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.64 4.00 0.00 2.12 1.84 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.46 3.95 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 136 Q 8.06 4.03 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 137 L 8.20 4.20 0.00 1.88 1.72 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.67 4.42 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 139 D 7.73 4.30 0.00 2.74 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.16 4.35 0.00 3.33 3.54 0.00 5.47 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.29 3.58 0.00 1.75 1.59 0.72 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.82 3.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.58 3.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.90 0.00 0.00 144 S 7.65 4.08 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.95 3.87 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.99 0.00 0.00 146 E 8.16 3.99 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 147 N 8.43 4.36 0.00 2.88 2.84 0.00 0.00 6.68 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.73 3.71 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 149 E 8.14 4.11 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.93 0.00 150 L 7.47 4.38 0.00 1.87 1.94 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.35 4.52 0.00 2.96 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.23 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.42 4.06 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.